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Dewar, Michael J. S., Holder, Andrew J. (1990) On the validity of polarization and correlation additivity inab initio molecular orbital calculations. Journal of Computational Chemistry, 11 (3). 311-313 doi:10.1002/jcc.540110305

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Reference TypeJournal (article/letter/editorial)
TitleOn the validity of polarization and correlation additivity inab initio molecular orbital calculations
JournalJournal of Computational Chemistry
AuthorsDewar, Michael J. S.Author
Holder, Andrew J.Author
Year1990 (April)Volume11
Issue3
PublisherWiley
DOIdoi:10.1002/jcc.540110305Search in ResearchGate
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Mindat Ref. ID3145529Long-form Identifiermindat:1:5:3145529:9
GUID0
Full ReferenceDewar, Michael J. S., Holder, Andrew J. (1990) On the validity of polarization and correlation additivity inab initio molecular orbital calculations. Journal of Computational Chemistry, 11 (3). 311-313 doi:10.1002/jcc.540110305
Plain TextDewar, Michael J. S., Holder, Andrew J. (1990) On the validity of polarization and correlation additivity inab initio molecular orbital calculations. Journal of Computational Chemistry, 11 (3). 311-313 doi:10.1002/jcc.540110305
In(1990, April) Journal of Computational Chemistry Vol. 11 (3) Wiley

See Also

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Dewar, Michael J. S., Healy, Eamonn F., Holder, Andrew J., Yuan, Yate-Ching (1990) Comments on a comparison of AM1 with the recently developed PM3 method. Journal of Computational Chemistry, 11 (4). 541-542 doi:10.1002/jcc.540110413
Jensen, Jan H., Gordon, Mark S. (1991) Splicing I: Using mixed basis sets inab initio calculations. Journal of Computational Chemistry, 12 (4). 421-426 doi:10.1002/jcc.540120403
Mezey, Paul G., Hass, Ernst -C. (1983) The propagation of basis-set error and geometry optimization inab initio calculations. II. Correlation between the balance of Gaussian basis sets and calculated molecular properties. Journal of Computational Chemistry, 4 (4). 482-487 doi:10.1002/jcc.540040405
Cruickshank, D. W. J., Eisenstein, M. (1987) The role ofd functions inab initio calculations. II. The deformation densities of SO2, NO2, and their ions. Journal of Computational Chemistry, 8 (1). 6-27 doi:10.1002/jcc.540080103
Michalska, D., Schaad, L. J., ??arsky, P., Andes Hess, B., Ewig, C. S. (1988) Basis set effects and the choice of reference geometry inab initio calculations of vibrational spectra. Journal of Computational Chemistry, 9 (5). 495-504 doi:10.1002/jcc.540090508
Dewar, Michael J. S., McKee, Michael L. (1983) Ground states of molecules. 56.MNDO calculations for molecules containing sulfur. Journal of Computational Chemistry, 4 (1). 84-103 doi:10.1002/jcc.540040113
Dewar, Michael J. S., Holder, Andrew J. (1990) AM1 parameters for aluminum. Organometallics, 9. 508-511 doi:10.1021/om00116a031
Nobes, Ross H., Bouma, Willem J., Radom, Leo (1982) The additivity of polarization function and electron correlation effects in ab initio molecular-orbital calculations. Chemical Physics Letters, 89. 497-500 doi:10.1016/0009-2614(82)83053-4
Illas, F., Roset, L., Ricart, J.M., Rubio, J. (1993) Basis-Modified hydrogen atoms as embedding atoms inab initio chemisorption cluster model calculations on Si surfaces. Journal of Computational Chemistry, 14 (12). 1534-1544 doi:10.1002/jcc.540141216
Roszak, S., Hariharan, P. C., Kaufman, Joyce J., Koski, W. S. (1990) MRD-CI calculations of proton affinity within theab initio method for approximation of the frozen molecular fragment. Journal of Computational Chemistry, 11 (9). 1076-1079 doi:10.1002/jcc.540110910
Dewar, Michael J. S., Rzepa, Henry S. (1983) Ground states of molecules. 53.MNDO calculations for molecules containing chlorine. Journal of Computational Chemistry, 4 (2). 158-169 doi:10.1002/jcc.540040207
 
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